CID 170141

1,2-bis(4-methoxyphenyl)ethene-1,2-dithiolate;nickel

Structural Information

Molecular Formula
C16H16O2S2
SMILES
COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)S)S
InChI
InChI=1S/C16H16O2S2/c1-17-13-7-3-11(4-8-13)15(19)16(20)12-5-9-14(18-2)10-6-12/h3-10,19-20H,1-2H3
InChIKey
JJSCUOFRMNDKNW-UHFFFAOYSA-N
Compound name
1,2-bis(4-methoxyphenyl)ethene-1,2-dithiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

304.05917 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06645 165.0
[M+Na]+ 327.04839 178.3
[M+NH4]+ 322.09299 174.2
[M+K]+ 343.02233 167.5
[M-H]- 303.05189 169.8
[M+Na-2H]- 325.03384 172.7
[M]+ 304.05862 169.4
[M]- 304.05972 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe